CID 52927423

Pg(p-20:0/22:1(11z))

Structural Information

Molecular Formula
C48H93O9P
SMILES
CCCCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC
InChI
InChI=1S/C48H93O9P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-48(51)57-47(45-56-58(52,53)55-43-46(50)42-49)44-54-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h21,23,39,41,46-47,49-50H,3-20,22,24-38,40,42-45H2,1-2H3,(H,52,53)/b23-21-,41-39-/t46-,47+/m0/s1
InChIKey
IUAZPKHJNOQCAJ-DMQBKYRBSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-icos-1-enoxy]propan-2-yl] (Z)-docos-11-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

844.6557 Da
Monoisotopic Mass

17.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 845.66298 303.2
[M+Na]+ 867.64492 301.1
[M-H]- 843.64842 288.9
[M+NH4]+ 862.68952 305.6
[M+K]+ 883.61886 307.4
[M+H-H2O]+ 827.65296 291.5
[M+HCOO]- 889.65390 299.3
[M+CH3COO]- 903.66955 300.3
[M+Na-2H]- 865.63037 277.4
[M]+ 844.65515 301.9
[M]- 844.65625 301.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.